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	hartrees
Energy at 0K	-1194.892045
Energy at 298.15K	-1194.892691
HF Energy	-1193.690770
Nuclear repulsion energy	351.378834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1827	1705	0.00
2	A_g	1260	1176	0.00
3	A_g	657	614	0.00
4	A_g	438	409	0.00
5	A_g	295	275	0.00
6	A_u	381	356	1.12
7	A_u	138	129	0.22
8	B_g	575	537	0.00
9	B_u	1288	1203	282.71
10	B_u	911	851	161.71
11	B_u	436	407	3.64
12	B_u	181	169	2.09

Atom	x (Å)	y (Å)
C1	-0.064	0.660
C2	0.064	-0.660
F3	-1.254	1.234
F4	1.254	-1.234
Cl5	1.254	1.744
Cl6	-1.254	-1.744

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3272	1.3202	2.3078	1.7062	2.6823
C2	1.3272		2.3078	1.3202	2.6823	1.7062
F3	1.3202	2.3078		3.5180	2.5587	2.9776
F4	2.3078	1.3202	3.5180		2.9776	2.5587
Cl5	1.7062	2.6823	2.5587	2.9776		4.2954
Cl6	2.6823	1.7062	2.9776	2.5587	4.2954

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.313	C1	C2	Cl6	123.843
C2	C1	F3	121.313	C2	C1	Cl5	123.843
F3	C1	Cl5	114.845	F4	C2	Cl6	114.845

All results from a given calculation for CFClCClF (trans-1,2-dichloro-1,2-difluoroethylene)

using model chemistry: CCD/cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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